2-Heptenal
- Formula: C7H12O
- Molecular weight: 112.1696
- IUPAC Standard InChI: InChI=1S/C7H12O/c1-2-3-4-5-6-7-8/h5-7H,2-4H2,1H3
- IUPAC Standard InChIKey: NDFKTBCGKNOHPJ-UHFFFAOYSA-N
- CAS Registry Number: 2463-63-0
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: 2-Hepten-1-al; hept-2-enal
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Ultra-2 | HP-5 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 25. | 30. | 60. | 50. | 60. |
| Carrier gas | H2 | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.33 | 0.25 | 1. | 0.52 | 1. |
| Tstart (C) | 40. | 60. | 40. | 35. | 40. |
| Tend (C) | 280. | 220. | 240. | 250. | 200. |
| Heat rate (K/min) | 3. | 5. | 3. | 2. | 3. |
| Initial hold (min) | 2. | 10. | 15. | 5. | |
| Final hold (min) | 10. | 45. | 2. | ||
| I | 952. | 964. | 959. | 958. | 954. |
| Reference | Ceva-Antunes, Bizzo, et al., 2006 | Campeol, Flamini, et al., 2001 | García, Martín, et al., 2000 | Boylston and Viniyard, 1998 | Kondjoyan, Viallon, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | Ultra-2 | Ultra-2 | HG-5 | HP-5 |
| Column length (m) | 60. | 50. | 50. | 50. | 50. |
| Carrier gas | He | He | He | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.3 |
| Phase thickness (μm) | 1. | 0.52 | 0.52 | 0.52 | |
| Tstart (C) | 40. | 40. | 40. | 35. | 80. |
| Tend (C) | 200. | 250. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 4. | 4. | 3. | 16. |
| Initial hold (min) | 5. | 3. | 3. | 15. | |
| Final hold (min) | 2. | 30. | 30. | 45. | |
| I | 956. | 963. | 975. | 961. | 940. |
| Reference | Kondjoyan, Viallon, et al., 1997 | King, Matthews, et al., 1995 | King, Hamilton, et al., 1993 | Drumm and Spanier, 1991 | Spadone, Takeoka, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 | DB-1 | DB-1 |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | H2 | ||
| Substrate | |||
| Column diameter (mm) | 0.3 | 0.32 | 0.32 |
| Phase thickness (μm) | |||
| Tstart (C) | 80. | 0. | 50. |
| Tend (C) | 250. | 250. | 250. |
| Heat rate (K/min) | 16. | 3. | 3. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 957. | 928. | 926. |
| Reference | Spadone, Takeoka, et al., 1990 | Habu, Flath, et al., 1985 | Habu, Flath, et al., 1985 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C.,
Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME),
LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007
. [all data]
Campeol, Flamini, et al., 2001
Campeol, E.; Flamini, G.; Chericoni, S.; Catalano, S.; Cremonini, R.,
Volatile compounds from three cultivars of Olea europaea from Italy,
J. Agric. Food Chem., 2001, 49, 11, 5409-5411, https://doi.org/10.1021/jf010455n
. [all data]
García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J.,
Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham,
Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x
. [all data]
Boylston and Viniyard, 1998
Boylston, T.D.; Viniyard, B.T.,
Isolation of volatile flavor compounds from peanut butter using purge-and-trap technique
in Instrumental Methods in Food and Beverage Analysis, D. Wetzel and G. Charalambous, ed(s)., 1998, 225-243. [all data]
Kondjoyan, Viallon, et al., 1997
Kondjoyan, N.; Viallon, C.; Berdagué, J.L.; Daridan, D.; Simon, M.-N.; Legault, C.,
Analyse comparative de la fraction volatile de jambons secs de porcs Gascon et Large-White x Landrace Français,
J. Rech. C.N.R.S., 1997, 29, 405-410, retrieved from http://www.rennes.inra.fr/srp/jrp/1997/97txtQualite/Q9704.pdf. [all data]
King, Matthews, et al., 1995
King, M.-F.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Effect of beef packaging method on volatile compounds developed by oven roasting or microwave cooking,
J. Agric. Food Chem., 1995, 43, 3, 773-778, https://doi.org/10.1021/jf00051a039
. [all data]
King, Hamilton, et al., 1993
King, M.-F.; Hamilton, B.L.; Matthews, M.A.; Rule, D.C.; Field, R.A.,
Isolation and identification of volatiles and condensable material in raw beef with supercritical carbon dioxide extraction,
J. Agric. Food Chem., 1993, 41, 11, 1974-1981, https://doi.org/10.1021/jf00035a030
. [all data]
Drumm and Spanier, 1991
Drumm, T.D.; Spanier, A.M.,
Changes in the content of lipid autoxidation and sulfur-containing compounds in cooked beef during storage,
J. Agric. Food Chem., 1991, 39, 2, 336-343, https://doi.org/10.1021/jf00002a023
. [all data]
Spadone, Takeoka, et al., 1990
Spadone, J.-C.; Takeoka, G.; Liardon, R.,
Analytical Investigation of Rio Off-Flavor in Green Coffee,
J. Agric. Food Chem., 1990, 38, 1, 226-233, https://doi.org/10.1021/jf00091a050
. [all data]
Habu, Flath, et al., 1985
Habu, T.; Flath, R.A.; Mon, T.R.; Morton, J.F.,
Volatile components of Rooibos tea (Aspalathus linearis),
J. Agric. Food Chem., 1985, 33, 2, 249-254, https://doi.org/10.1021/jf00062a024
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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